| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 24 | No |
Popular Name: N-(2-hydroxy-5-nitro-phenyl)-6-methyl-1H-benzimidazole-2-carboximidoyl N-(2-hydroxy-5-nitro-phenyl)-6-m…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.02 | 5.27 | -96.78 | 0 | 8 | -2 | 132 | 319.28 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 5.26 | -36.94 | 1 | 8 | -1 | 129 | 320.288 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 3.8 | -115.3 | 3 | 8 | 2 | 130 | 323.312 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 3.82 | -117.45 | 3 | 8 | 2 | 130 | 323.312 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 4.5 | -15.24 | 2 | 8 | 0 | 131 | 321.296 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
